ChemSpider 2D Image | (2R,2'R,2''R,3S,3'S,3''S,4S,4'R)-2,2',2''-Tris(3,4,5-trihydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,8':4',8''-terchromene-3,3',3'',5,5',5'',7,7',7''-nonol | C45H38O21

(2R,2'R,2''R,3S,3'S,3''S,4S,4'R)-2,2',2''-Tris(3,4,5-trihydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,8':4',8''-terchromene-3,3',3'',5,5',5'',7,7',7''-nonol

  • Molecular FormulaC45H38O21
  • Average mass914.771 Da
  • Monoisotopic mass914.190552 Da
  • ChemSpider ID30777487

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R,2'R,2''R,3S,3'S,3''S,4S,4'R)-2,2',2''-Tris(3,4,5-trihydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,8':4',8''-terchromen-3,3',3'',5,5',5'',7,7',7''-nonol [German] [ACD/IUPAC Name]
(2R,2'R,2''R,3S,3'S,3''S,4S,4'R)-2,2',2''-Tris(3,4,5-trihydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,8':4',8''-terchromene-3,3',3'',5,5',5'',7,7',7''-nonol [ACD/IUPAC Name]
(2R,2'R,2''R,3S,3'S,3''S,4S,4'R)-2,2',2''-Tris(3,4,5-trihydroxyphényl)-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,8':4',8''-terchromène-3,3',3'',5,5',5'',7,7',7''-nonol [French] [ACD/IUPAC Name]
[4,8':4',8''-Ter-2H-1-benzopyran]-3,3',3'',5,5',5'',7,7',7''-nonol, 3,3',3'',4,4',4''-hexahydro-2,2',2''-tris(3,4,5-trihydroxyphenyl)-, (2R,2'R,2''R,3S,3'S,3''S,4S,4'R)- [ACD/Index Name]
87402-90-2 [RN]
(2R,3S,4R)-8-[(2R,3S,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4-[(2R,3S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-2-(3,4,5
(2R,3S,4R)-8-[(2R,3S,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4-[(2R,3S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-tr
(2R,3S,4R)-8-[(2R,3S,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4-[(2R,3S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
[Gallocatechin-(4α->8)]2-gallocatechin
Gallocatechin(4a->8)gallocatechin(4a->8)gallocatechin
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.868
Molar Refractivity: 222.8±0.3 cm3
#H bond acceptors: 21
#H bond donors: 18
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -1.64
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.17
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.89
Polar Surface Area: 392 Å2
Polarizability: 88.3±0.5 10-24cm3
Surface Tension: 127.8±3.0 dyne/cm
Molar Volume: 491.4±3.0 cm3

Click to predict properties on the Chemicalize site


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